I like to know if there is any method with which, two given molecules, obtain another molecule with different parts of the initial molecules.
Something like MCS but with the not common structure.
Sorry for my english.
Thanks a lot
That's an interesting idea. We can implement it for you in v 5.3.1.
Can you tell us more about the intended usage of this complementary MCS?
I'm trying to show the common and uncommon parts of two molecules and then applied to each molecule obtained (the common and the uncommon) different algorithms.
Thank you very much
I would like to inform you that we had to make an urgent patch release that was named 5.3.1, therefore the feature promised in this topic will be included only in the patch release coming at the end of March (probably named 5.3.2).
Thanks for the information.
Please be informed that the required functionality is available in JChem 5.4.
The methods you may wish to try to use are called getUnmatched and there are some variants of them.
Thank you. I will prove it.